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Quantum Chemistry of Solids : LCAO Treatment of Crystals and Nanostructures - Robert A. Evarestov
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Quantum Chemistry of Solids : LCAO Treatment of Crystals and Nanostructures - gebunden oder broschiert

2013, ISBN: 3642303552

[EAN: 9783642303555], Neubuch, [SC: 0.0], [PU: Springer Berlin Heidelberg], FESTKÖRPERPHYSIK; HARTREE-FOCK(KOHN-SHAM)LCAOCALCULATIONS; DIELECTRICCONSTANTSOFCRYSTALS; FIRSTPRINCIPLESLCAOCA… Mehr…

NEW BOOK. Versandkosten:Versandkostenfrei. (EUR 0.00) AHA-BUCH GmbH, Einbeck, Germany [51283250] [Rating: 5 (von 5)]
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Quantum Chemistry of Solids - Robert A. Evarestov
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Robert A. Evarestov:

Quantum Chemistry of Solids - neues Buch

2018, ISBN: 9783642303555

[ED: Buch], [PU: Springer Berlin Heidelberg], Neuware - Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first p… Mehr…

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Quantum Chemistry of Solids by Robert A. Evarestov Hardcover | Indigo Chapters
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Quantum Chemistry of Solids by Robert A. Evarestov Hardcover | Indigo Chapters - neues Buch

ISBN: 9783642303555

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of period… Mehr…

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Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures Robert A. Evarestov Author
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Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures Robert A. Evarestov Author - neues Buch

ISBN: 9783642303555

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of period… Mehr…

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Quantum Chemistry of Solids
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Quantum Chemistry of Solids - neues Buch

ISBN: 9783642303555

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of period… Mehr…

Nr. 978-3-642-30355-5. Versandkosten:Worldwide free shipping, , DE. (EUR 0.00)

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Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures Robert A. Evarestov Author

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods  applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid –state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed.
The second part deals with the applications of LCAO methods  for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization.  In the second edition two new chapters are added in the application part II of the book.
 Chapter 12  deals with the recent LCAO calculations and illustrates  the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes.
New material  is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of  the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of  electronic,  vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd).

Detailangaben zum Buch - Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures Robert A. Evarestov Author


EAN (ISBN-13): 9783642303555
ISBN (ISBN-10): 3642303552
Gebundene Ausgabe
Erscheinungsjahr: 2013
Herausgeber: Springer Berlin Heidelberg Core >2
734 Seiten
Gewicht: 1,231 kg
Sprache: Englisch

Buch in der Datenbank seit 2009-02-17T08:44:20+01:00 (Zurich)
Detailseite zuletzt geändert am 2024-01-30T14:30:35+01:00 (Zurich)
ISBN/EAN: 9783642303555

ISBN - alternative Schreibweisen:
3-642-30355-2, 978-3-642-30355-5
Alternative Schreibweisen und verwandte Suchbegriffe:
Autor des Buches: eva, robert, molecular electronic structure theory
Titel des Buches: chemistry sciences, quant, quan, quantum, springer series solid state sciences, 153


Daten vom Verlag:

Autor/in: Robert A. Evarestov
Titel: Springer Series in Solid-State Sciences; Quantum Chemistry of Solids - LCAO Treatment of Crystals and Nanostructures
Verlag: Springer; Springer Berlin
734 Seiten
Erscheinungsjahr: 2013-01-18
Berlin; Heidelberg; DE
Gedruckt / Hergestellt in Niederlande.
Gewicht: 1,286 kg
Sprache: Englisch
213,99 € (DE)
219,99 € (AT)
236,00 CHF (CH)
POD
XVIII, 734 p.

BB; Solid State Physics; Hardcover, Softcover / Physik, Astronomie/Atomphysik, Kernphysik; Physik der kondensierten Materie (Flüssigkeits- und Festkörperphysik); Verstehen; Physik; Hartree-Fock (Kohn-Sham) LCAO calculations; dielectric constants of crystals; first principles LCAO calculations for solids; inorganic nanotubes computer modeling; point defects in crystals computer modeling; surface of solids computer modeling; symmetry of crystalline structures; Nanoscale Science and Technology; Physical Chemistry; Crystallography and Scattering Methods; Condensed Matter Physics; Nanophysics; Physical Chemistry; Crystallography and Scattering Methods; Nanowissenschaften; Physikalische Chemie; Werkstoffprüfung; BB; BC; EA; BA

New material  is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of  the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of  electronic,  vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd).

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9783642430411 Quantum Chemistry Of Solids by Robert A. Evarestov Paperback | Indigo Chapters (Robert A. Evarestov)


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